Symmetry breaking and electron correlati
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Charu A. Chandrasekher; K. S. Griffith; Gregory I. Gellene
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Article
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1996
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John Wiley and Sons
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English
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Potential energy curves are calculated for O;, 0,, and 0: at the CCSD, QCISD, CCSD(T), and QCISD(T) levels of theory using aug-cc-pVDZ and aug-cc-pVTZ basis sets with electron correlation built onto inversion symmetry constrained and relaxed UHF wave functions. The spectroscopic constant Y,, we, w,x